SCHEMBL20180256

SCHEMBL20180256

c1ccc(-c2ccc3c(c2)c(-c2ccccc2)nn3-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20180359 0.95 MAPT (0.42) PTGER1MAPTGAAALDH1A1NPSR1
SCHEMBL22214861 0.94 ALDH1A1 (0.40) PTGER1MAPTALDH1A1NPSR1
SCHEMBL22214600 0.94 ALDH1A1 (0.40) PTGER1MAPTALDH1A1NPSR1
SCHEMBL22214601 0.94 ALDH1A1 (0.40) PTGER1MAPTALDH1A1NPSR1
SCHEMBL20180265 0.90 PTGER1 (0.43) PTGER1MAPTGAAKDM4EALDH1A1
SCHEMBL22214597 0.88 MKNK1 (0.40) PTGER1MAPTALDH1A1NPSR1
SCHEMBL22214675 0.87 PRKDC (0.38) MAPTALDH1A1NPSR1
SCHEMBL22214598 0.85 MEN1 (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL22214595 0.85 MEN1 (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL20180250 0.84 PTGER1 (0.42) PTGER1GAAKDM4EALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed